6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

C20H18N6O — CID 126926090

IUPAC6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2Cn2nc(-c3ccncc3)ccc2=O)nc1
InChIInChI=1S/C20H18N6O/c21-12-15-3-5-19(23-13-15)25-11-1-2-17(25)14-26-20(27)6-4-18(24-26)16-7-9-22-10-8-16/h3-10,13,17H,1-2,11,14H2
InChIKeyWAETWLKFCNVEJI-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.24
Rot. Bonds4

About 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126926090) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID126926090
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2Cn2nc(-c3ccncc3)ccc2=O)nc1
InChIInChI=1S/C20H18N6O/c21-12-15-3-5-19(23-13-15)25-11-1-2-17(25)14-26-20(27)6-4-18(24-26)16-7-9-22-10-8-16/h3-10,13,17H,1-2,11,14H2
InChIKeyWAETWLKFCNVEJI-UHFFFAOYSA-N
XLogP2.24
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 126926090) is 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCCC2Cn2nc(-c3ccncc3)ccc2=O)nc1.
What is the InChIKey of 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WAETWLKFCNVEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-12-15-3-5-19(23-13-15)25-11-1-2-17(25)14-26-20(27)6-4-18(24-26)16-7-9-22-10-8-16/h3-10,13,17H,1-2,11,14H2.
What are the key properties of 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 358.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126926090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).